1-[4-(Bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6-yl]ethanone

HCID 592154

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Basic information

CAS: 6578-50-3
Standard SMILES: CCOC1(CBr)C(C)=NN=C2C=CN(C(C)=O)N21
InChIKey: AAQWNCGCNUQGMA-UHFFFAOYSA-N
Molecular formula: C11H15BrN4O2
Average molar mass: 315.17 g/mol
Monoisotopic mass: 314.03784

Names & identifiers

Preferred name: 1-[4-(Bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6-yl]ethanone
IUPAC: 1-[4-(bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6-yl]ethanone
English name: 6-Acetyl-4-(bromomethyl)-4-ethoxy-4,6-dihydro-3-methylpyrazolo[5,1-c][1,2,4]triazine
Molecular formula: C11H15BrN4O2
Molecular weight: 315.17

Names & synonyms

1-[4-(bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6-yl]ethanoneDTXSID80343780AAQWNCGCNUQGMA-UHFFFAOYSA-NPyrazolo[5,1-c]-as-triazine, 6-acetyl-4-(bromomethyl)-4-ethoxy-4,6-dihydro-3-methyl-6578-50-31-[4-(Bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6(4H)-yl]ethan-1-one6-Acetyl-4-(bromomethyl)-4-ethoxy-3-methyl-4,6-dihydropyrazolo[5,1-c][1,2,4]triazine #6-acetyl-4-bromomethyl-4-ethoxy-3-methyl-4H-pyrazolo[5,1-c][1,2,4]triazine6-Acetyl-4-(bromomethyl)-4-ethoxy-4,6-dihydro-3-methylpyrazolo[5,1-c][1,2,4]triazineEthanone, 1-[4-(bromomethyl)-4-ethoxy-3-methylpyrazolo[5,1-c][1,2,4]triazin-6(4H)-yl]-

Database identifiers

CAS: 6578-50-3
PubChem CID: 592154
DTXSID: DTXSID80343780
Nikkaji: J108.399F

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 460

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